zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphyrin-21,22-diide

Systemtic Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(2-phenylethynyl)porphine-21,22-diide Formula: C68H60N4Zn MolecularWeight: 998.6398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C([N-]5)C(=C1[N-]2)C#CC6=CC=CC=C6)CC)CC)C#CC7=CC=CC=C7)C(=C4CC)CC)C#CC8=CC=CC=C8)C(=C3CC)CC)C#CC9=CC=CC=C9)CC.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C([N-]5)C(=C1[N-]2)C#CC6=CC=CC=C6)CC)CC)C#CC7=CC=CC=C7)C(=C4CC)CC)C#CC8=CC=CC=C8)C(=C3CC)CC)C#CC9=CC=CC=C9)CC.[Zn+2]

InChI

InChI=1S/C68H60N4.Zn/c1-9-49-50(10-2)62-58(42-38-46-31-23-18-24-32-46)64-53(13-5)54(14-6)66(71-64)60(44-40-48-35-27-20-28-36-48)68-56(16-8)55(15-7)67(72-68)59(43-39-47-33-25-19-26-34-47)65-52(12-4)51(11-3)63(70-65)57(61(49)69-62)41-37-45-29-21-17-22-30-45;/h17-36H,9-16H2,1-8H3;/q-2;+2